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BDBM50182244 CHEMBL206246::N-((R)-6-((tert-butylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(1-methyl-1H-imidazol-4-ylsulfonyl)piperidin-2-yl)acetamide

SMILES: Cn1cnc(c1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12

InChI Key: InChIKey=ASMAGMCDASTQOH-JTHBVZDNSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50182244   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50182244
PNG
(CHEMBL206246 | N-((R)-6-((tert-butylamino)methyl)-...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12
Show InChI InChI=1S/C26H39N5O3S/c1-26(2,3)28-16-19-11-12-22-20(14-19)8-7-10-23(22)29-24(32)15-21-9-5-6-13-31(21)35(33,34)25-17-30(4)18-27-25/h11-12,14,17-18,21,23,28H,5-10,13,15-16H2,1-4H3,(H,29,32)/t21-,23+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human B1 receptor by calcium influx functional assay


Bioorg Med Chem Lett 16: 2071-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50182244
PNG
(CHEMBL206246 | N-((R)-6-((tert-butylamino)methyl)-...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12
Show InChI InChI=1S/C26H39N5O3S/c1-26(2,3)28-16-19-11-12-22-20(14-19)8-7-10-23(22)29-24(32)15-21-9-5-6-13-31(21)35(33,34)25-17-30(4)18-27-25/h11-12,14,17-18,21,23,28H,5-10,13,15-16H2,1-4H3,(H,29,32)/t21-,23+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human B1 receptor


Bioorg Med Chem Lett 16: 2071-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7
More data for this
Ligand-Target Pair